Compound Detail
CHEMBL519587
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Basic Information
| ChEMBL ID | CHEMBL519587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRYMOPZHXMVHTA-DAGMQNCNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-2.08
ALogP
8
HBA
5
HBD
146.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 12900.0 | nM | 4.89 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense assessed as red... | 31931339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8459394 | 10.1021/jm00058a001 | Mus musculus | 18 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei brucei | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei rhodesiense | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | MRC5 | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine